(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide

C7H13FN2O2 — CID 130686259

IUPAC(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H13FN2O2/c1-10(12-2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyAHRSAOUIVPWDAD-RITPCOANSA-N
MW176.19 g/mol
LogP-0.29
Rot. Bonds2

About (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 130686259) has the molecular formula C7H13FN2O2 and a molecular weight of 176.19 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
PubChem CID130686259
Molecular FormulaC7H13FN2O2
Molecular Weight176.19 g/mol
Exact Mass176.10
IUPAC Name(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide
SMILESCON(C)C(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C7H13FN2O2/c1-10(12-2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1
InChIKeyAHRSAOUIVPWDAD-RITPCOANSA-N
XLogP-0.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide (CID 130686259) is (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide is CON(C)C(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is AHRSAOUIVPWDAD-RITPCOANSA-N. The full InChI is InChI=1S/C7H13FN2O2/c1-10(12-2)7(11)6-3-5(8)4-9-6/h5-6,9H,3-4H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 176.19 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-methoxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 130686259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).